N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide

C18H19N5O2 — CID 146113903

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2nccnc12
InChIInChI=1S/C18H19N5O2/c24-16-10-12(11-23-8-2-5-21-23)9-15(16)22-18(25)13-3-1-4-14-17(13)20-7-6-19-14/h1-8,12,15-16,24H,9-11H2,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyCHXSKBZVXFEXIH-XHAYOOOLSA-N
MW337.38 g/mol
LogP1.40
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide (PubChem CID 146113903) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
PubChem CID146113903
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2nccnc12
InChIInChI=1S/C18H19N5O2/c24-16-10-12(11-23-8-2-5-21-23)9-15(16)22-18(25)13-3-1-4-14-17(13)20-7-6-19-14/h1-8,12,15-16,24H,9-11H2,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyCHXSKBZVXFEXIH-XHAYOOOLSA-N
XLogP1.40
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
CID 146110002
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146113852
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
CID 104615428
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 146113799
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 146113881
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide (CID 146113903) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2nccnc12.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide?
The InChIKey is CHXSKBZVXFEXIH-XHAYOOOLSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-10-12(11-23-8-2-5-21-23)9-15(16)22-18(25)13-3-1-4-14-17(13)20-7-6-19-14/h1-8,12,15-16,24H,9-11H2,(H,22,25)/t12?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 146113903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).